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Andreas Görling
Researcher at University of Erlangen-Nuremberg
Publications - 216
Citations - 9472
Andreas Görling is an academic researcher from University of Erlangen-Nuremberg. The author has contributed to research in topics: Density functional theory & Catalysis. The author has an hindex of 48, co-authored 186 publications receiving 7945 citations.
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Competition for graphene: graphynes with direction-dependent Dirac cones.
TL;DR: One of these materials, 6,6,12-graphyne, does not have hexagonal symmetry and features two self-doped nonequivalent distorted Dirac cones suggesting electronic properties even more amazing than that of graphene.
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Understanding band gaps of solids in generalized Kohn–Sham theory
John P. Perdew,Weitao Yang,Kieron Burke,Zeng-hui Yang,E. K. U. Gross,Matthias Scheffler,Matthias Scheffler,Gustavo E. Scuseria,Thomas M. Henderson,Igor Ying Zhang,Adrienn Ruzsinszky,Haowei Peng,Jianwei Sun,Egor Trushin,Andreas Görling +14 more
TL;DR: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added.
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Efficient localized Hartree-Fock methods as effective exact-exchange Kohn-Sham methods for molecules
Fabio Della Sala,Andreas Görling +1 more
TL;DR: In this article, the Kohn-Sham (KS) exchange potential is derived from the approximation that the Hartree-Fock (HF) and the exchange-only KS determinant are equal.
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New KS Method for Molecules Based on an Exchange Charge Density Generating the Exact Local KS Exchange Potential
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The Surface Trans Effect: Influence of Axial Ligands on the Surface Chemical Bonds of Adsorbed Metalloporphyrins
Wolfgang Hieringer,Ken Flechtner,Andreas Kretschmann,Knud Seufert,Willi Auwärter,Johannes V. Barth,Andreas Görling,Hans-Peter Steinrück,J. Michael Gottfried +8 more
TL;DR: Density-functional theory (DFT) calculations on model systems reveal that competition effects play a central role and lead to a mutual interference of the two axial ligands, NO and Ag, and their bonds to the metal center.